4',5'-Dimethoxy-7-(1''-methyl-6'',7''-dimethoxy-tetrahydroisochinolyl)-3,4,5,6,7,8-hexahydro-benz<1,2:1',2'>chinolizin, C-Noremetin | 20149-92-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4',5'-Dimethoxy-7-(1''-methyl-6'',7''-dimethoxy-tetrahydroisochinolyl)-3,4,5,6,7,8-hexahydro-benz<1,2:1',2'>chinolizin, C-Noremetin
• 英文别名: C-Noremetin；<2-(6',7'-Dimethoxy-1',2',3',4'-tetrahydro-isochinolyl-(1')-methyl>-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzochinolizin；(+/-)-C(3)-Bisnorisoemetin；2-(6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-ylmethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline；2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-[1]isochinolylmethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isochinolin；10,11,6',7'-tetramethoxy-16,17-dinor-emetane；2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
• CAS: 20149-92-2
• 化学式: C₂₇H₃₆N₂O₄
• 分子量: 452.594
• InChiKey: OTLWAJGSZZCOKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  52.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] EMETINE COMPOUNDS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION<br/>[FR] COMPOSÉS D'ÉMÉTINE POUR LE TRAITEMENT ET LA PRÉVENTION D'UNE INFECTION À FLAVIVIRUS
  申请人：UNIV FLORIDA STATE RES FOUND

  公开号：WO2019075011A1

  公开（公告）日：2019-04-18

  The present invention concerns the use of emetine compounds for the treatment or prevention of Flavivirus infections, such as Zika virus infections. Aspects of the invention include methods for treating or preventing Flavivirus virus infection, such as Zika virus infection, by administering an emetine compound such as emetine or cephaeline, or a combination of two or more emetine compounds, to a subject in need thereof; methods for inhibiting Flavivirus infections such as Zika virus infections in a cell in vitro or in vivo; pharmaceutical compositions; packaged dosage formulations; and kits for treating or preventing Flavivirus infections, such Zika virus infections.
• [EN] SOLID FORMS OF EMETINE<br/>[FR] FORMES SOLIDE DE L'ÉMÉTINE
  申请人：[en]ACER THERAPEUTICS, INC.

  公开号：WO2022120209A1

  公开（公告）日：2022-06-09

  Crystalline forms of emetine dihydrochloride (Compound I dihydrochloride) were prepared and characterized in the solid state: Compound I dihydrochloride. Also provided are processes of manufacture and methods of using the crystalline forms of Compound I dihydrochloride.